2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile

C12H11N3 — CID 84774379

IUPAC2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile
SMILESCC(C)(C#N)c1cncc2ccncc12
InChIInChI=1S/C12H11N3/c1-12(2,8-13)11-7-15-5-9-3-4-14-6-10(9)11/h3-7H,1-2H3
InChIKeyRAIVJLHDEXKPKH-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.43
Rot. Bonds1

About 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile

2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile (PubChem CID 84774379) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile
PubChem CID84774379
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile
SMILESCC(C)(C#N)c1cncc2ccncc12
InChIInChI=1S/C12H11N3/c1-12(2,8-13)11-7-15-5-9-3-4-14-6-10(9)11/h3-7H,1-2H3
InChIKeyRAIVJLHDEXKPKH-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile (CID 84774379) is 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile is CC(C)(C#N)c1cncc2ccncc12.
What is the InChIKey of 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile?
The InChIKey is RAIVJLHDEXKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-12(2,8-13)11-7-15-5-9-3-4-14-6-10(9)11/h3-7H,1-2H3.
What are the key properties of 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile?
2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile has a molecular weight of 197.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,6-naphthyridin-4-yl)propanenitrile is sourced from PubChem (CID 84774379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).